tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)

C128H155F17N7O61Rf4S7-11 — CID 158045836

IUPACtris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)
SMILESCC(=O)N1CCCC1=O.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(C)(C)C(=O)N1CCCC1=O.COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].O=C1CCCN1C(=O)C1C2CC3CC(C2)CC1C3.O=C1CCCN1C(=O)C1CCCCC1.O=C1CCCN1C(=O)c1ccc2ccccc2c1.O=C1CCCN1C(=O)c1cccc2ccccc12.O=C1CCCN1C(=O)c1ccccc1.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C15H21NO2.2C15H13NO2.C11H17NO2.C11H11NO2.C9H15NO2.4C7H9F2O8S.3C6H9F3O5S.C6H9NO2.4Rf/c17-13-2-1-3-16(13)15(18)14-11-5-9-4-10(7-11)8-12(14)6-9;17-14-9-4-10-16(14)15(18)13-8-3-6-11-5-1-2-7-12(11)13;17-14-6-3-9-16(14)15(18)13-8-7-11-4-1-2-5-12(11)10-13;2*13-10-7-4-8-12(10)11(14)9-5-2-1-3-6-9;1-9(2,3)8(12)10-6-4-5-7(10)11;4*1-15-5(10)2-16-3-6(11)17-4-7(8,9)18(12,13)14;3*1-4(10)14-5(2,6(7,8)9)3-15(11,12)13;1-5(8)7-4-2-3-6(7)9;;;;/h9-12,14H,1-8H2;1-3,5-8H,4,9-10H2;1-2,4-5,7-8,10H,3,6,9H2;9H,1-8H2;1-3,5-6H,4,7-8H2;4-6H2,1-3H3;4*4H,2-3H2,1H3,(H,12,13,14);3*3H2,1-2H3,(H,11,12,13);2-4H2,1H3;;;;/q;;;;;;4*-1;;;;;;;;/p-7
InChIKeyKJTJASJOMJKGGU-UHFFFAOYSA-G
MW4383.07 g/mol
LogP9.24
Rot. Bonds42

About tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)

tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium) (PubChem CID 158045836) has the molecular formula C128H155F17N7O61Rf4S7-11 and a molecular weight of 4383.07 g/mol. Its IUPAC name is tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium).

Molecular Properties

Compound Nametris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)
PubChem CID158045836
Molecular FormulaC128H155F17N7O61Rf4S7-11
Molecular Weight4383.07 g/mol
Exact Mass4381.19
IUPAC Nametris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)
SMILESCC(=O)N1CCCC1=O.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(C)(C)C(=O)N1CCCC1=O.COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].O=C1CCCN1C(=O)C1C2CC3CC(C2)CC1C3.O=C1CCCN1C(=O)C1CCCCC1.O=C1CCCN1C(=O)c1ccc2ccccc2c1.O=C1CCCN1C(=O)c1cccc2ccccc12.O=C1CCCN1C(=O)c1ccccc1.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C15H21NO2.2C15H13NO2.C11H17NO2.C11H11NO2.C9H15NO2.4C7H9F2O8S.3C6H9F3O5S.C6H9NO2.4Rf/c17-13-2-1-3-16(13)15(18)14-11-5-9-4-10(7-11)8-12(14)6-9;17-14-9-4-10-16(14)15(18)13-8-3-6-11-5-1-2-7-12(11)13;17-14-6-3-9-16(14)15(18)13-8-7-11-4-1-2-5-12(11)10-13;2*13-10-7-4-8-12(10)11(14)9-5-2-1-3-6-9;1-9(2,3)8(12)10-6-4-5-7(10)11;4*1-15-5(10)2-16-3-6(11)17-4-7(8,9)18(12,13)14;3*1-4(10)14-5(2,6(7,8)9)3-15(11,12)13;1-5(8)7-4-2-3-6(7)9;;;;/h9-12,14H,1-8H2;1-3,5-8H,4,9-10H2;1-2,4-5,7-8,10H,3,6,9H2;9H,1-8H2;1-3,5-6H,4,7-8H2;4-6H2,1-3H3;4*4H,2-3H2,1H3,(H,12,13,14);3*3H2,1-2H3,(H,11,12,13);2-4H2,1H3;;;;/q;;;;;;4*-1;;;;;;;;/p-7
InChIKeyKJTJASJOMJKGGU-UHFFFAOYSA-G
XLogP9.24
TPSA988.28 Ų
H-Bond Donors
H-Bond Acceptors61
Rotatable Bonds42
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004383.07
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)?
The IUPAC name of tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium) (CID 158045836) is tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium).
What is the SMILES notation for tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)?
The canonical SMILES for tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium) is CC(=O)N1CCCC1=O.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(C)(C)C(=O)N1CCCC1=O.COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)COCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].O=C1CCCN1C(=O)C1C2CC3CC(C2)CC1C3.O=C1CCCN1C(=O)C1CCCCC1.O=C1CCCN1C(=O)c1ccc2ccccc2c1.O=C1CCCN1C(=O)c1cccc2ccccc12.O=C1CCCN1C(=O)c1ccccc1.[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)?
The InChIKey is KJTJASJOMJKGGU-UHFFFAOYSA-G. The full InChI is InChI=1S/C15H21NO2.2C15H13NO2.C11H17NO2.C11H11NO2.C9H15NO2.4C7H9F2O8S.3C6H9F3O5S.C6H9NO2.4Rf/c17-13-2-1-3-16(13)15(18)14-11-5-9-4-10(7-11)8-12(14)6-9;17-14-9-4-10-16(14)15(18)13-8-3-6-11-5-1-2-7-12(11)13;17-14-6-3-9-16(14)15(18)13-8-7-11-4-1-2-5-12(11)10-13;2*13-10-7-4-8-12(10)11(14)9-5-2-1-3-6-9;1-9(2,3)8(12)10-6-4-5-7(10)11;4*1-15-5(10)2-16-3-6(11)17-4-7(8,9)18(12,13)14;3*1-4(10)14-5(2,6(7,8)9)3-15(11,12)13;1-5(8)7-4-2-3-6(7)9;;;;/h9-12,14H,1-8H2;1-3,5-8H,4,9-10H2;1-2,4-5,7-8,10H,3,6,9H2;9H,1-8H2;1-3,5-6H,4,7-8H2;4-6H2,1-3H3;4*4H,2-3H2,1H3,(H,12,13,14);3*3H2,1-2H3,(H,11,12,13);2-4H2,1H3;;;;/q;;;;;;4*-1;;;;;;;;/p-7.
What are the key properties of tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium)?
tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium) has a molecular weight of 4383.07 g/mol, XLogP of 9.24, 42 rotatable bonds, 0 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-acetyloxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate);1-acetylpyrrolidin-2-one;1-(adamantane-2-carbonyl)pyrrolidin-2-one;1-benzoylpyrrolidin-2-one;1-(cyclohexanecarbonyl)pyrrolidin-2-one;tetrakis(1,1-difluoro-2-[2-(2-methoxy-2-oxoethoxy)acetyl]oxyethanesulfonate);1-(2,2-dimethylpropanoyl)pyrrolidin-2-one;1-(naphthalene-1-carbonyl)pyrrolidin-2-one;1-(naphthalene-2-carbonyl)pyrrolidin-2-one;tetrakis(rutherfordium) is sourced from PubChem (CID 158045836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).